ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate

C15H16F3N3O3 — CID 142736140

IUPACethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate
SMILESCCOC(=O)c1c2cc(C(F)(F)F)ccc2nn1N1CCOCC1
InChIInChI=1S/C15H16F3N3O3/c1-2-24-14(22)13-11-9-10(15(16,17)18)3-4-12(11)19-21(13)20-5-7-23-8-6-20/h3-4,9H,2,5-8H2,1H3
InChIKeyFGNSACKOBBONLN-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.20
Rot. Bonds3

About ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate

ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate (PubChem CID 142736140) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate
PubChem CID142736140
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Nameethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate
SMILESCCOC(=O)c1c2cc(C(F)(F)F)ccc2nn1N1CCOCC1
InChIInChI=1S/C15H16F3N3O3/c1-2-24-14(22)13-11-9-10(15(16,17)18)3-4-12(11)19-21(13)20-5-7-23-8-6-20/h3-4,9H,2,5-8H2,1H3
InChIKeyFGNSACKOBBONLN-UHFFFAOYSA-N
XLogP2.20
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
CID 126483070
ethyl 4-[4-(3-morpholin-4-ylpropoxy)anilino]-6-(trifluoromethyl)quinoline-3-carboxylate
CID 122193391
ethyl 11-methyl-9-(trifluoromethyl)-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylate
CID 54448460
ethyl 2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)anilino]quinoline-3-carboxylate
CID 162621200
ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate
CID 54209491
diethyl 4-(4-morpholin-4-ylanilino)quinoline-3,6-dicarboxylate
CID 1190175
diethyl 5-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate
CID 102309661
ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate
CID 86699744
ethyl 4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-6-(trifluoromethyl)quinoline-3-carboxylate
CID 21283405
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate
CID 42878220
ethyl 4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoate
CID 118033133
ethyl 2-(3,5-difluorophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 67295376

Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate?
The IUPAC name of ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate (CID 142736140) is ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate.
What is the SMILES notation for ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate?
The canonical SMILES for ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate is CCOC(=O)c1c2cc(C(F)(F)F)ccc2nn1N1CCOCC1.
What is the InChIKey of ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate?
The InChIKey is FGNSACKOBBONLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-2-24-14(22)13-11-9-10(15(16,17)18)3-4-12(11)19-21(13)20-5-7-23-8-6-20/h3-4,9H,2,5-8H2,1H3.
What are the key properties of ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate?
ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate has a molecular weight of 343.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate is sourced from PubChem (CID 142736140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).